4-(Difluoromethoxy)-3-methoxybenzaldehyde - CAS 162401-70-9

Catalog:	BB011869
Product Name:	4-(Difluoromethoxy)-3-methoxybenzaldehyde
CAS:	162401-70-9
Synonyms:	4-(difluoromethoxy)-3-methoxybenzaldehyde; 4-(difluoromethoxy)-3-methoxybenzaldehyde

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(difluoromethoxy)-3-methoxybenzaldehyde
Description:	4-(Difluoromethoxy)-3-methoxybenzaldehyde (CAS# 162401-70-9) is a useful research chemical.
Molecular Weight:	202.15
Molecular Formula:	C9H8F2O3
Canonical SMILES:	COC1=C(C=CC(=C1)C=O)OC(F)F
InChI:	InChI=1S/C9H8F2O3/c1-13-8-4-6(5-12)2-3-7(8)14-9(10)11/h2-5,9H,1H3
InChI Key:	KGPOVKAYCXTCQS-UHFFFAOYSA-N
Boiling Point:	269.9 °C at 760 mmHg
Density:	1.26 g/cm³
MDL:	MFCD03412217
LogP:	2.10910

Publication Number	Title	Priority Date
WO-2020169593-A1	Antibacterials based on monocyclic fragments coupled to aminopiperidine naphthyridine scaffold	20190219
CN-103214422-A	Preparation methods and anti-cancer effect of novel substituted amido imidazolone derivatives	20130507
CN-103214422-B	Preparation methods and anti-cancer effect of novel substituted amido imidazolone derivatives	20130507
US-2015336866-A1	Synthesis of difluoromethyl ethers and sulfides	20130101
WO-2014107380-A1	Synthesis of difluoromethyl ethers and sulfides	20130101

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Related Functional Groups

Carbonyl Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.04415044
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.04415044
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2